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7,8,3'-Trihydroxy-4'-methoxyisoflavone

PubChem CID: 44257264

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Compound Synonyms 7,8,3'-Trihydroxy-4'-methoxyisoflavone, CHEMBL3581070, LMPK12050145, 7,8,3'-Trihydroxy-4'-methoxyisoflavon, 7,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one, 117634-59-0
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 462.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Xlogp 2.1
Molecular Formula C16H12O6
Prediction Swissadme 0.0
Inchi Key YANXJXVKFOHHOB-UHFFFAOYSA-N
Fcsp3 0.0625
Logs -4.247
Rotatable Bond Count 2.0
Logd 0.016
Compound Name 7,8,3'-Trihydroxy-4'-methoxyisoflavone
Prediction Hob Swissadme 0.0
Exact Mass 300.063
Formal Charge 0.0
Monoisotopic Mass 300.063
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 300.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.9268310181818182
Inchi InChI=1S/C16H12O6/c1-21-13-5-2-8(6-12(13)18)10-7-22-16-9(14(10)19)3-4-11(17)15(16)20/h2-7,17-18,20H,1H3
Smiles COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Azolla Pinnata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Boronia Pinnata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cardamine Pinnata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Dahlia Pinnata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Dahlstedtia Pinnata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dbergia Pinnata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Garuga Pinnata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Hardwickia Pinnata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Kalanchoe Pinnata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Kigelia Pinnata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Munronia Pinnata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Paullinia Pinnata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Quamoclit Pinnata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ruta Pinnata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Sapondius Pinnata (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Schkuhria Pinnata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Spondias Pinnata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Vitex Pinnata (Plant) Rel Props:Reference:
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